4,5-bis(oxidanyl)-2-[1-oxidanyl-2-(phenylmethylsulfanyl)ethyl]furan-3-one

Systemtic Name: 4,5-bis(oxidanyl)-2-[1-oxidanyl-2-(phenylmethylsulfanyl)ethyl]furan-3-one Openeye Name: 2-(2-benzylsulfanyl-1-hydroxy-ethyl)-4,5-dihydroxy-furan-3-one CAS Name: 4,5-dihydroxy-2-[1-hydroxy-2-(phenylmethylthio)ethyl]-3-furanone IUPAC Name: 2-(2-benzylsulfanyl-1-hydroxyethyl)-4,5-dihydroxyfuran-3-one Traditional Name: 2-[2-(benzylthio)-1-hydroxy-ethyl]-4,5-dihydroxy-furan-3-one Formula: C13H14O5S MolecularWeight: 282.31226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C2C(=O)C(=C(O2)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCC(C2C(=O)C(=C(O2)O)O)O

InChI

InChI=1S/C13H14O5S/c14-9(12-10(15)11(16)13(17)18-12)7-19-6-8-4-2-1-3-5-8/h1-5,9,12,14,16-17H,6-7H2